3,5-dinitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Basic information
- CAS
69819-48-3- Standard SMILES
O=C(Nc1ncc([N+](=O)[O-])s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
CKDCOUQFSQYSMK-UHFFFAOYSA-N- Molecular formula
- C10H5N5O7S
- Average molar mass
- 339.24 g/mol
- Monoisotopic mass
- 338.99096869
Names & identifiers
- Preferred name
- 3,5-dinitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
- IUPAC
- 3,5-dinitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Names & synonyms
3,5-dinitro-N-(5-nitro-1,3-thiazol-2-yl)benzamideNSC17130269819-48-3DTXSID50305633NSC-1713023,5-dinitro-N-(5-nitrothiazol-2-yl)benzamide
Database identifiers
- CAS
69819-48-3- PubChem CID
- 298929
- DTXSID
DTXSID50305633
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 208 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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